N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide

C17H19N3O3 — CID 171135111

IUPACN-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
SMILESO=C(Cn1cccnc1=O)N(CC=Cc1ccccc1)CCO
InChIInChI=1S/C17H19N3O3/c21-13-12-19(10-4-8-15-6-2-1-3-7-15)16(22)14-20-11-5-9-18-17(20)23/h1-9,11,21H,10,12-14H2
InChIKeyGQYQEDWYTICQEM-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.78
Rot. Bonds7

About N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide

N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide (PubChem CID 171135111) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
PubChem CID171135111
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
SMILESO=C(Cn1cccnc1=O)N(CC=Cc1ccccc1)CCO
InChIInChI=1S/C17H19N3O3/c21-13-12-19(10-4-8-15-6-2-1-3-7-15)16(22)14-20-11-5-9-18-17(20)23/h1-9,11,21H,10,12-14H2
InChIKeyGQYQEDWYTICQEM-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915533
2-[2-(dimethylamino)ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 107424071
N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide
CID 50962725
3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50982925
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide
CID 91940438
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622
(E)-3-[4-[(2-oxopyrimidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 109375487
ethyl 3-oxo-4-(2-oxopyrimidin-1-yl)butanoate
CID 63898720
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 91841784
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide (CID 171135111) is N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide is O=C(Cn1cccnc1=O)N(CC=Cc1ccccc1)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide?
The InChIKey is GQYQEDWYTICQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-13-12-19(10-4-8-15-6-2-1-3-7-15)16(22)14-20-11-5-9-18-17(20)23/h1-9,11,21H,10,12-14H2.
What are the key properties of N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide?
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide is sourced from PubChem (CID 171135111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).